2,2,2-Trichloroethyl 3,5-Dihydroxybenzoate

Base Information

• Chemical Name: 2,2,2-Trichloroethyl 3,5-Dihydroxybenzoate
• CAS No.: 143330-91-0
• Molecular Formula: C9H7 Cl3 O4
• Molecular Weight: 285.511
• Hs Code.: 2918290000
• DSSTox Substance ID: DTXSID60572657
• Nikkaji Number: J1.976.772H
• Wikidata: Q82461080
• Mol file: 143330-91-0.mol

Synonyms:2,2,2-Trichloroethyl 3,5-Dihydroxybenzoate;143330-91-0;3,5-Dihydroxybenzoic Acid 2,2,2-Trichloroethyl Ester;2,2,2-Trichloroethyl 3,5-Dihydroxybenzoate (ca. 20% in Dichloromethane, ca. 1mol/L);SCHEMBL4709126;DTXSID60572657;trichloroethyl 3,5-dihydroxybenzoate;2,2,2-Trichloroethyl3,5-Dihydroxybenzoate;CS-0328727;D2655;(2,2,2-trichloroethyl) 3,5-dihydroxybenzoate;T70281;alpha-Resorcylic Acid 2,2,2-Trichloroethyl Ester

Chemical Property of 2,2,2-Trichloroethyl 3,5-Dihydroxybenzoate

Chemical Property:

• Vapor Pressure: 1.29E-08mmHg at 25°C
• Refractive Index: 1.613
• Boiling Point: 447.3°C at 760 mmHg
• Flash Point: 224.3°C
• PSA: 66.76000
• Density: 1.632g/cm³
• LogP: 2.62480
• Storage Temp.: Refrigerator
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 283.940992
• Heavy Atom Count: 16
• Complexity: 244

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,2,2-Trichloroethyl3,5-Dihydroxybenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1O)O)C(=O)OCC(Cl)(Cl)Cl

Technology Process of 2,2,2-Trichloroethyl 3,5-Dihydroxybenzoate

There total 1 articles about 2,2,2-Trichloroethyl 3,5-Dihydroxybenzoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 61.4%

1,1,1-trichloroethanol (115-20-8) + 3,5-Dihydroxybenzoic acid (99-10-5) → 2',2',2'-trichloroethyl 3,5-dihydroxybenzoate (143330-91-0)

Guidance literature:

With sulfuric acid; at 90 ℃; for 48h;

DOI:10.1021/ja00048a009

Reference yield: 100.0%

3,5-dimethoxybenzoic acid (1132-21-4) + 2',2',2'-trichloroethyl 3,5-dihydroxybenzoate (143330-91-0) → 2',2',2'-trichloroethyl 3,5-bis(3',5'-dimethoxybenzoyloxy)benzoate (474264-51-2)

Guidance literature:

With dicyclohexyl-carbodiimide; 4-(dimethylamino)pyridinium tosylate; In dichloromethane; at 20 ℃;

DOI:10.1021/ja020687i

Reference yield: 100.0%

2',2',2'-trichloroethyl 3,5-dihydroxybenzoate (143330-91-0) + 3,5-bis[3',5'-bis(3'',5''-dimethoxybenzoyloxy)benzoyloxy]benzoic acid (474264-54-5) → 2',2',2'-trichloroethyl 3,5-bis{3',5'-bis[3'',5''-bis(3''',5'''-dimethoxybenzoyloxy)benzoyloxy]benzoyloxy}benzoate

Guidance literature:

With dicyclohexyl-carbodiimide; 4-(dimethylamino)pyridinium tosylate; In dichloromethane; at 20 ℃;

DOI:10.1002/chem.200304851

upstream raw materials:

1,1,1-trichloroethanol

3,5-Dihydroxybenzoic acid

Downstream raw materials:

C₅₁H₃₉Cl₃O₁₀

C₁₀₇H₉₁Cl₃O₁₆

3-[3,5-Bis-(3,5-bis-benzyloxy-benzyloxy)-benzyloxy]-5-hydroxy-benzoic acid 2,2,2-trichloro-ethyl ester

C₁₀₇H₇₉Cl₃O₂₂